SCHEMBL1717851

SCHEMBL1717851

CC[n+]1ccccn1.F[B-](F)(F)F

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1718036 0.83 MEN1 (0.31)
SCHEMBL15212372 0.80
SCHEMBL1719128 0.80 KMT2A (0.37)
SCHEMBL15212374 0.75
SCHEMBL2098489 0.73
SCHEMBL1717839 0.70
SCHEMBL3305179 0.68 KMT2A (0.50)
SCHEMBL3308619 0.67 KMT2A (0.53)
SCHEMBL13937745 0.67
SCHEMBL15212263 0.66 RAD52 (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172463-B1 Quaternary ammonium salt, electrolytic solution and electrochemical device OTSUKA CHEMICAL CO LTD (JP) 2015-06-17 EP disclosed
US-8747690-B2 Quaternary ammonium salt and composition, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-8366956-B2 Quaternary ammonium salt and composition, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20130004860-A1 QUATERNARY AMMONIUM SALT AND COMPOSITION, AND ELECTROCHEMICAL DEVICE STELLA CHEMIFA CORPORATION (JP) 2013-01-03 US disclosed
EP-1642894-B1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE OTSUKA CHEMICAL CO LTD (JP) 2012-01-18 EP disclosed
US-20110123873-A1 Quaternary ammonium salt and composition, and electrochemical device STELLA CHEMIFA CORPORATION (JP) 2011-05-26 US disclosed
US-7834197-B2 Quaternary ammonium salt, electrolyte, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-2172463-A1 Quaternary ammonium salt, electrolytic solution and electrochemical device Otsuka Chemical Co., Ltd. (JP) 2010-04-07 EP disclosed
US-20070042271-A1 Quaternary ammonium salt, electrolyte, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1642894-A1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2006-04-05 EP disclosed